Compound ID	CP0005212
Compound Name	US8987315, Ketoconazole     Show/Hide
Structure
Formula	C26H28Cl2N4O4
Molecular Weight	531.44
Canonical SMILES	CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1     Show/Hide
InChI	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3     Show/Hide
InChIKey	XMAYWYJOQHXEEK-UHFFFAOYSA-N
CAS	79156-75-5
Physicochemical Property	logP 4.2058 Rotatable Bonds 7 Heavy Atom Count 36 Polar Areas 69.06 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Complexity 36 "RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count).     Show/Hide
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PubChem ID	CID: 3823
ChEMBL ID	CHEMBL157101
DrugBank ID	DB01026

Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity